Personal Websites

Advanced Multiscale Simulation Lab:

Alexey Vishnyakov


My research is focused on development of new efficient methods for molecular and mesoscale simulations with applications to enhanced oil recovery, focusing on polymers, surfactants, geological organic matter (kerogen). Since joining Skoltech in 2018, I am working on data-driven modeling, which incorporates classical deterministic methods, such as molecular dynamics or finite elements and machine learning. These hybrid methods are applied in computational design of compounds for EOR.

After obtaining PhD, I worked as a scientist at a small research company located in NJ, and later at Rutgers University as a research professor. I co-authored about 75 journal papers and numerous research reports on different projects. Because I enjoy working on live practical topics, Skoltech attracts me by strong connections to industry, not to mention students of talent and academic preparation and computer facilities.

Google scholar profile:

Research areas:

  • Polymers, surfactants, nanoparticles in enhanced oil recovery
  • Molecular and mesoscale simulations for oil recovery and processing
  • Computational dynamics of complex fluids in porous structures
  • Machine learning for molecular and fluid dynamics
  • Geological organic matter

Key publications:

  • Vishnyakov A, Lee MT, Neimark AV. Prediction of the Critical Micelle Concentration of Nonionic Surfactants by Dissipative Particle Dynamics Simulations. J. Phys. Chem. Lett. 2013; 4(5):797-802.
  • Vishnyakov A, Neimark AV. Multicomponent gauge cell method. J. Chem. Phys. 2009;130(22).
  • Neimark AV, Ravikovitch PI, Vishnyakov A. Bridging scales from molecular simulations to classical thermodynamics: density functional theory of capillary condensation in nanopores. J. Phys. Condensed Matter. 2003; 15(3):347-65
  • Vishnyakov A, Widmalm G, Kowalewski J, Laaksonen A. Molecular dynamics simulation of the alpha-D-Manp-(1 -> 3)-beta-D-Glcp-OMe disaccharide in water and water DMSO solution. J. Am. Chem. Soc. 1999; 121(23): 5403-12
  • Ravikovitch PI, Vishnyakov A, Russo R, Neimark AV. Unified approach to pore size characterization of microporous carbonaceous materials from N-2, Ar, and CO2 adsorption isotherms. Langmuir. 2000;16(5):2311


Bruna Faria — PhD student, started AY 2018-2019 (Statistical Mechanics of macromolecules, mesoscale simulations)

Andrew Olhin — PhD student, AY 2019-2020 (Multiphase flows in porous media)

Dmitry Beloborodov — (PhD student) porous materials

Ilya Kopanichuk — engineer (polymers, surfactants)

Peter Hovental — engineer (wetting | spreading at pore scale)


  • Thermodynamics & transport at nanoscale (3cr, term 4)
  • Soft Matter in practice (3cr, term 1/5)
  • Parallel Computing in Mathematical Modeling and Data-Intensive Applications (6 cr, term 5-6)

Coming in the following academic year

  • Innovation workshop